Research Article
Ramanjaneyulu M, Rohith Raj, B
Abstract
Carbonic anhydrase is the target which is responsible for glaucoma,beta adrenergic receptor is the target for hypertension and in dna ,NAD+ADP-ribosyltransferase is responsible for tumor.The drugs which are satisfying Lipinsky rules for antitumor are cisplatin,cyclophosphamide, dactinomycin, ifosfamide and mitomycin.The drugs for glaucoma are:acetazolamide, brinzolamide, dichorphenamide, ethoxzolamide and metazolamide.The drugs for hypertensionare:acebutolol,alprenolol,atenolol,betaxolol,bis prolol, metoprolol, nebivolol, oxprenolol.Toxicity levels for those drugs were predicted using ADME pharma algorithms. These drugs were drawn and singlepoint,geometry optimization,molecular dynamicswere performed inorder to get good orientation.Docking was performed to find the best drug .R group of those best drugs was modified by replacing different functional groups in its position,those were optimized using different algorithms.Docking was performed for those analogs with the targets.The molecule with the greatest fitness score will have the maximum binding affinity. This leads to a better and efficient drug which is devoid of side effects to the prior one.Properties of better drugs were calculated accurately by using ADME/ToxWEB (pharma algorithms)